2-Methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid

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Systematic / IUPAC Name: 2-Methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid

ID: Reference8497

Other Names: Securiterpenoside;
4-(β-D-Glucopyranosyloxy)-2-methylenebutanoic acid ;
Butanoic acid, 4-(β-D-glucopyranosyloxy)-2-methylene-

Formula: C11H18O8

Spectral Data

2-Methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 484
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/26/2019 8:40:26 AM
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Identificators

InChI InChI=1S/C11H18O8/c1-5(10(16)17)2-3-18-11-9(15)8(14)7(13)6(4-12)19-11/h6-9,11-15H,1-4H2,(H,16,17)/t6-,7-,8+,9-,11-/m1/s1
InChI Key QJALTHDWQWOLLT-ZBGLXGBJSA-N
Canonical SMILES C=C(CCOC1C(C(C(C(O1)CO)O)O)O)C(=O)O
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Other Names Securiterpenoside;
4-(β-D-Glucopyranosyloxy)-2-methylenebutanoic acid ;
Butanoic acid, 4-(β-D-glucopyranosyloxy)-2-methylene-

In Other Databases

PubChem 5321222
ChemSpider 4479044